Product Name

  • Name

    1-(3-Fluorobenzyl)piperazine

  • EINECS
  • CAS No. 55513-19-4
  • Article Data8
  • CAS DataBase
  • Density 1.103 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H15FN2
  • Boiling Point 271.1 °C at 760 mmHg
  • Molecular Weight 194.252
  • Flash Point 117.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 55513-19-4 (1-(3-Fluorobenzyl)piperazine)
  • Hazard Symbols IrritantXi
  • Synonyms ART-CHEM-BB B016013;ART-CHEM-BB B004012;BUTTPARK 36\08-60;CHEMBRDG-BB 4103043;1-(3-FLUOROBENZYL)PIPERAZINE;AKOS BBS-00004467;AKOS B004012;TIMTEC-BB SBB003605
  • PSA 15.27000
  • LogP 1.49760

1-(3-Fluorobenzyl)piperazine Specification

The 1-(3-Fluorobenzyl)piperazine is an organic compound with the formula C11H15FN2. The IUPAC name of this chemical is 1-[(3-fluorophenyl)methyl]piperazine. With the CAS registry number 55513-19-4, it is also named as Piperazine, 1-[(3-fluorophenyl)methyl]-. The product's categories are Building Blocks; Heterocyclic Building Blocks; Piperazines.

Physical properties about 1-(3-Fluorobenzyl)piperazine are: (1)ACD/LogP: 1.41; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 6.48 Å2; (6)Index of Refraction: 1.531; (7)Molar Refractivity: 54.52 cm3; (8)Molar Volume: 176 cm3; (9)Polarizability: 21.61×10-24cm3; (10)Surface Tension: 37.7 dyne/cm; (11)Density: 1.103 g/cm3; (12)Flash Point: 117.7 °C; (13)Enthalpy of Vaporization: 50.93 kJ/mol; (14)Boiling Point: 271.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00659 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)CN2CCNCC2
(2)InChI: InChI=1/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
(3)InChIKey: ITHBJSRWFNLKIH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
(5)Std. InChIKey: ITHBJSRWFNLKIH-UHFFFAOYSA-N

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